6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid

C8H3F5INO3 — CID 118803856

IUPAC6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H3F5INO3/c9-6(10)4-5(18-8(11,12)13)3(14)2(1-15-4)7(16)17/h1,6H,(H,16,17)
InChIKeyHGNNIMOXDKZYOA-UHFFFAOYSA-N
MW383.01 g/mol
LogP3.22
Rot. Bonds3

About 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid

6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118803856) has the molecular formula C8H3F5INO3 and a molecular weight of 383.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118803856
Molecular FormulaC8H3F5INO3
Molecular Weight383.01 g/mol
Exact Mass382.91
IUPAC Name6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)c(OC(F)(F)F)c1I
InChIInChI=1S/C8H3F5INO3/c9-6(10)4-5(18-8(11,12)13)3(14)2(1-15-4)7(16)17/h1,6H,(H,16,17)
InChIKeyHGNNIMOXDKZYOA-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.01
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118803856) is 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1cnc(C(F)F)c(OC(F)(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is HGNNIMOXDKZYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO3/c9-6(10)4-5(18-8(11,12)13)3(14)2(1-15-4)7(16)17/h1,6H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid?
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 383.01 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118803856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).